D715-2111 Screening compound: 6-chloro-N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pyridine-3-carboxamide

D715-2111 Screening compound: 6-chloro-N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pyridine-3-carboxamide
D715-2111 Screening compound: 6-chloro-N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-2111
6-chloro-N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pyridine-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D715-2111

Molecular Formula

C22H22ClN3O3S (C22 H22 ClN3 O3 S)

Compound Name

6-chloro-N-[4,5-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pyridine-3-carboxamide

IUPAC name

6-chloro-N-[45-dimethyl-3-(4-methylbenzenesulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pyridine-3-carboxamide

SMILES

Cc1c(C)n(CC=C)c(NC(c(cc2)cnc2Cl)=O)c1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C22H22ClN3O3S/c1-5-12-26-16(4)15(3)20(30(28,29)18-9-6-14(2)7-10-18)21(26)25-22(27)17-8-11-19(23)24-13-17/h5-11,13H,1,12H2,2-4H3,(H,25,27)

InChI Key

BMONAHCUBGZYSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12201845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-4.37

Polar Surface Area

63.454

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D715-2111 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D715-2111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-2111?
Check Price and Availability of D715-2111, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D715-2111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-2111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-2111
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D715-2111 available by request